Solid State Communications最新文献_第2页

Facile fabrication and characterization of Sm3+ doped LaAlO3 nanophosphors for enhanced luminescence and photocatalytic dye degradation Sm3+掺杂LaAlO3纳米荧光粉的制备及性能研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-12 DOI: 10.1016/j.ssc.2025.115960

A. Kempaiah , T. Shivalingaswamy , S. Pratibha , C.R. Manjunatha

{"title":"Facile fabrication and characterization of Sm3+ doped LaAlO3 nanophosphors for enhanced luminescence and photocatalytic dye degradation","authors":"A. Kempaiah , T. Shivalingaswamy , S. Pratibha , C.R. Manjunatha","doi":"10.1016/j.ssc.2025.115960","DOIUrl":"10.1016/j.ssc.2025.115960","url":null,"abstract":"<div><div>Utilizing the solution combustion synthesis approach, LaAlO<sub>3</sub>: Sm<sup>3+</sup> (1–9 mol %) nanoparticles (NPs) were created. Several analytical methods, including PXRD, FTIR, SEM, and TEM, are used to do the structural study. It is discovered that the band gap lies between 4.9 and 5.3 eV. The optical properties of the synthesized NPs are investigated by analyzing photoluminescence spectra. At 850 °C, calcination yields a pure rhombohedral phase. SEM pictures of the nanoparticles show the agglomerated porous structure. The PL spectra show Sm<sup>3+</sup> ions' distinctive emission peaks to <sup>6</sup>H<sub>J</sub> = 9/2, 7/2, and 5/2 from <sup>4</sup>G<sub>5/2</sub> transitions with a yellowish orange shade under the excitation wavelength of 406 nm and confirmed by the CIE coordinates. Additionally, photocatalytic dye degradation of methylene blue dye is carried out using LaAlO<sub>3</sub>: Sm<sup>3+</sup> (5 mol %) nanoparticles. In 180 min of short duration, under UV light, the % degradation of methylene blue dye is 99 %, and under sunlight 91 %. Notably, the dye degradation remained efficient (up to 85 %) in the presence of multiple cations. Regenerative and reusability studies further confirmed the material's robust photocatalytic activity. These materials are promising candidates for the production of photoluminescence liquid crystal displays, field emission displays, and other optical devices, along with these nanoparticles can be used as an efficient photocatalyst for pollutant water treatment.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115960"},"PeriodicalIF":2.1,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Novel carbon nanotubes derived from Net-C and Net-W sheets: A first-principles study 由Net-C和Net-W片衍生的新型碳纳米管：第一性原理研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-12 DOI: 10.1016/j.ssc.2025.115953

Roya Majidi , Ali Mohammadi , Ahmad I. Ayesh

引用次数: 0

Comparative study of electronic and optical properties of monolayer MoSi2N4 with adsorbed functional groups 具有吸附官能团的单层MoSi2N4的电子和光学性质的比较研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-11 DOI: 10.1016/j.ssc.2025.115952

Defu Xu , Qiang Fan

{"title":"Comparative study of electronic and optical properties of monolayer MoSi2N4 with adsorbed functional groups","authors":"Defu Xu , Qiang Fan","doi":"10.1016/j.ssc.2025.115952","DOIUrl":"10.1016/j.ssc.2025.115952","url":null,"abstract":"<div><div>The electronic and optical properties of monolayer MoSi<sub>2</sub>N<sub>4</sub>, modified by the adsorption of eight distinct functional groups—hydrogen, halogens (fluorine, chlorine, bromine, iodine), oxygen, hydroxyl, and amino—were systematically explored using first-principles simulations. The adsorption coverage was varied (n = 1–16), revealing profound modifications in the electronic structure, particularly when all silicon or nitrogen atoms on a single surface were fully functionalized (16 adsorbed atoms). Notably, the bandgap diminished to 0 eV upon adsorption of hydrogen (H), fluorine (F), or iodine (I), while chlorine (Cl) and bromine (Br) adsorption reduced the bandgap from 1.79 eV (pristine MoSi<sub>2</sub>N<sub>4</sub>) to 0.92 eV (MoSi<sub>2</sub>N<sub>4</sub>-Cl<sub>16</sub>) and 1.12 eV (MoSi<sub>2</sub>N<sub>4</sub>-Br<sub>16</sub>), respectively. In contrast, oxygen (O), hydroxyl (OH), and amino (NH<sub>2</sub>) groups resulted in bandgaps of 1.25 eV (MoSi<sub>2</sub>N<sub>4</sub>-O<sub>16</sub>), 1.19 eV (MoSi<sub>2</sub>N<sub>4</sub>-OH<sub>16</sub>), and 1.05 eV (MoSi<sub>2</sub>N<sub>4</sub>-NH2<sub>16</sub>). A comparative analysis of the optical absorption spectra demonstrated that surface adsorption significantly broadened the absorption range, extending it into the infrared region while encompassing the ultraviolet and visible domains. Among the functional groups studied, iodine adsorption induced the most pronounced enhancement in the absorption intensity. Following the adsorption of 16 iodine atoms, the maximum ultraviolet absorption coefficient reached 1.07 × 10<sup>5</sup> cm<sup>−1</sup>, more than doubling the intrinsic value. These results highlight the efficacy of functional group adsorption in tuning the optoelectronic properties of MoSi<sub>2</sub>N<sub>4</sub>, with H, F, and I atoms exerting the most substantial influence on the bandgap and iodine atoms exhibiting the most significant and tunable optical absorption characteristics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115952"},"PeriodicalIF":2.1,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Effect of applied uniform strain on the plasmon modes in graphene double-layer structures 外加均匀应变对石墨烯双层结构等离子体模式的影响

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-11 DOI: 10.1016/j.ssc.2025.115941

L.A. Galeana Gómez , G. González de la Cruz

{"title":"Effect of applied uniform strain on the plasmon modes in graphene double-layer structures","authors":"L.A. Galeana Gómez , G. González de la Cruz","doi":"10.1016/j.ssc.2025.115941","DOIUrl":"10.1016/j.ssc.2025.115941","url":null,"abstract":"<div><div>In this work, charge density excitations in uniformly strained double-layer graphene structures are carried out up to first order in the strain tensor. Taking the reported low energy Dirac Hamiltonian for the anisotropic Fermi velocity tensor, plasmon properties may be described by linear response theory and the relationship between the density response function and induced current density under a weak external applied field. We show that plasmon energies of the optical and acoustic modes of the graphene double-layers depend substantially on their optical anisotropic tensor conductivity, the strain modulus and the direction of the applied tension. Also, we determine that plasmon excitation is based on the observation of a deep sharp minimum in the reflection coefficient of the suggested anisotropic graphene structure upon the incident angle and strain in the Kretchmann configuration. Because strain induces anisotropy in graphene optical conductivity, the strain-dependent orientation plays an important role to manipulate the variations of the graphene plasmon energy, which may be useful to tune graphene properties in plasmonic devices to enhance light-matter interaction.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115941"},"PeriodicalIF":2.1,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143859414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Study of the electrical and structural homogeneity of ultrathin HfO2 films grown by reactive sputtering 反应溅射生长超薄HfO2薄膜的电学和结构均匀性研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-10 DOI: 10.1016/j.ssc.2025.115949

M. Sirena , N. Haberkorn

引用次数: 0

Theoretical investigations on the structural, elastic, electronic, and magnetic properties of cubic SrXO3 (X = V, Ru) perovskites 立方SrXO3 （X = V, Ru）钙钛矿结构、弹性、电子和磁性能的理论研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-08 DOI: 10.1016/j.ssc.2025.115948

Sara Mender , Malika Labidi , Salima Labidi , Rachid Masrour , Mohamed Ellouze

{"title":"Theoretical investigations on the structural, elastic, electronic, and magnetic properties of cubic SrXO3 (X = V, Ru) perovskites","authors":"Sara Mender , Malika Labidi , Salima Labidi , Rachid Masrour , Mohamed Ellouze","doi":"10.1016/j.ssc.2025.115948","DOIUrl":"10.1016/j.ssc.2025.115948","url":null,"abstract":"<div><div>In this paper, we studied the structural, elastic, magnetic, and electronic characteristics of the compounds SrVO<sub>3</sub> and SrRuO<sub>3</sub> by employing the Full-Potential Linearized Augmented Plane wave (FP-LAPW) method, as implemented in the Wien2k code. The properties of SrXO<sub>3</sub> where X = V and Ru were investigated utilizing different theoretical estimates. We examined the relationship between total energy and volume, applying for both ferromagnetic and nonmagnetic states by the Wu-Cohen Generalized Gradient Approximation. We first calculated the lattice parameters of SrXO<sub>3</sub>, and after that, we determined the two- and three-dimensional compressive modulus, modulus of Young, ratio of Poisson, and modulus of shear. Additionally, both the WC-GGA and mBJ-GGA schemes estimates were employed to analyze the band structure, the total and partial density of SrXO<sub>3</sub> within the Brillouin zone. In addition the magnetic properties was investigated by calculating the magnetic total (M<sub>tot</sub>) and partial (M<sub>Sr</sub>, M<sub>(V, Ru)</sub> and M<sub>O</sub>) moments. There is concordance between our results and with previous works.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115948"},"PeriodicalIF":2.1,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Directional solidification in gallium under strong magnetic field: NMR studies 强磁场下镓的定向凝固：核磁共振研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-08 DOI: 10.1016/j.ssc.2025.115950

A.A. Vasilev , D. Yu Nefedov , E.V. Charnaya , Min Kai Lee , Lieh-Jeng Chang

引用次数: 0

Influence of spin-orbit coupling on 2D strained plumbene monolayer 自旋轨道耦合对二维应变铅苯单层的影响

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-05 DOI: 10.1016/j.ssc.2025.115944

Jyoti Dalal , Sandeep Kaur , Hitesh Sharma , Karamjit Singh Dhaliwal , Isha Mudahar

{"title":"Influence of spin-orbit coupling on 2D strained plumbene monolayer","authors":"Jyoti Dalal , Sandeep Kaur , Hitesh Sharma , Karamjit Singh Dhaliwal , Isha Mudahar","doi":"10.1016/j.ssc.2025.115944","DOIUrl":"10.1016/j.ssc.2025.115944","url":null,"abstract":"<div><div>We have investigated the effect of spin-orbit coupling (SOC) on pristine and strained plumbene using density functional theory. Without SOC but under the application of biaxial strain, both unstrained and strained plumbene show metallic behaviour. With SOC, an indirect band gap opening of 0.47 eV is observed in unstrained plumbene. Under the effect of SOC, when the compressive strain (0 %–10 %) is applied to the system, the band gap gets reduced from 0.47 eV to 0 eV which shows the system changes from semiconducting to metallic. However, when tensile strain up to 10 % is applied with SOC, the bandgap changes from 0.47 eV to 0.66 eV and the band gap alignment is modified from indirect to direct gap transition. Our finding show that on the application of external strain, the effective masses of electron and hole get modified. The effective mass of electron and hole for pristine monolayer plumbene is 0.0195m<sub>0</sub> and 0.0237m<sub>0</sub> respectively. To check the stability of our pristine and strained structure, we have performed phonon calculation. Our finding show that the structures are stable under tensile strain (up to 10 %). This study provides a theoretical basis for realizing the strain regulation of monolayer plumbene.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115944"},"PeriodicalIF":2.1,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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First-principles investigation of the structural, elastic, mechanical, electronic, magnetic and optical properties of the Half-Heusler CoVTe alloy 半heusler CoVTe合金的结构、弹性、机械、电子、磁性和光学性质的第一性原理研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-05 DOI: 10.1016/j.ssc.2025.115943

N. Bouzakraoui , A. Samih , Hussein Sabbah , E. Salmani , R. El Fdil , Z. Fadil , Satish Kumar Rajasekharan , Fohad Mabood Husain , Chaitany Jayprakash Raorane

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DFT study on K2AgSbI6: Exploring the electronic, optical, and elastic properties of a double perovskite K2AgSbI6的DFT研究：探索双钙钛矿的电子、光学和弹性性质

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-04-04 DOI: 10.1016/j.ssc.2025.115947

Abdelmounaim Laassouli , Mohamed Karouchi , Abdelkebir Ejjabli , Youssef Lachtioui , Omar Bajjou

{"title":"DFT study on K2AgSbI6: Exploring the electronic, optical, and elastic properties of a double perovskite","authors":"Abdelmounaim Laassouli , Mohamed Karouchi , Abdelkebir Ejjabli , Youssef Lachtioui , Omar Bajjou","doi":"10.1016/j.ssc.2025.115947","DOIUrl":"10.1016/j.ssc.2025.115947","url":null,"abstract":"<div><div>K<sub>2</sub>AgSbI<sub>6</sub>, a lead-free double perovskite, is investigated as a promising eco-friendly candidate for optoelectronic devices using density functional theory (DFT). The electronic, optical, and mechanical properties of cubic-phase K<sub>2</sub>AgSbI<sub>6</sub> are systematically analyzed with the CASTEP code, employing the PBE-GGA functional for structural and mechanical calculations and the HSE06 hybrid functional for bandgap refinement. The material exhibits an indirect bandgap of 0.391 eV (GGA) and 0.597 eV (HSE06), consistent with its semiconducting nature, while optical absorption spectra reveal a strong peak at 2.86 eV (visible range, ∼433 nm) with a high absorption coefficient of 8.75 × 10<sup>5</sup> cm<sup>−1</sup>, ideal for visible-light harvesting. Mechanical stability is confirmed via Born criteria, with calculated elastic constants yielding a bulk modulus of 16.75 GPa and ductile behavior (Pugh's ratio >1.75), indicating robustness for flexible device integration. Phonon dispersion analysis confirms dynamical stability, ruling out soft modes. The interplay of ionic substitution effects and Kramers-Kronig interactions underpins subtle bandgap variations, though limitations of the DFT methodology are noted. These results position K<sub>2</sub>AgSbI<sub>6</sub> as a sustainable, high-performance material for next-generation photovoltaics and optoelectronics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115947"},"PeriodicalIF":2.1,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143821464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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